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BioLiP

PDB CCD ID: EKI
Number of entries in BioLiP: 2
Chemical formula: C13 H15 N5 O3
InChI: InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
InChIKey: HWODCHXORCTEGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O
ACDLabs 12.01NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1
OpenEye OEToolkits 2.0.7CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N
Name:7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
ChEMBL: CHEMBL1977874
ZINC: ZINC000063539695
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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